Glucodigitoxigenin

Molecular Formula: C₂₉H₄₄O₉

InChI: InChI=1/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19u,20u,21u,23-,24?,25?,26-,27+,28-,29+/m1/s1

InChIKey: InChIKey=CMHWMOGWFZWDMR-YXISUFHWBO
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)CO)O)O)O

Names:
    AY 22248
    BRN 0070004
    Digitoxigenin glucoside
    Digitoxigenin-beta-d-glucoside
    Digitoxigenin-D-glucosid [German]
    Glucodigitoxigenin
    3beta-(beta-D-Glucopyranosyl)-14-hydroxy-5beta-card-20(22)-enolide
    3-beta-((D-Glucopyranosyl)oxy)-14-hydroxy-5-beta-card-20(22)-enolide
    4-18-00-01496 (Beilstein Handbook Reference)
    4-[(3S,5R,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
    5-beta-CARD-20(22)-ENOLIDE, 3-beta-(beta-D-GLUCOPYRANOSYLOXY)-14-HYDROXY-

Registries:
    PubChem CID 28230
    PubChem ID 170724